6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclopropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile

C20H14ClFN6 — CID 122510406

IUPAC6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclopropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCC1(n2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccc3ncc(C#N)n3n2)CC1
InChIInChI=1S/C20H14ClFN6/c1-20(6-7-20)27-11-25-18(12-2-3-15(22)14(21)8-12)19(27)16-4-5-17-24-10-13(9-23)28(17)26-16/h2-5,8,10-11H,6-7H2,1H3
InChIKeyLILHDFQTAZTSON-UHFFFAOYSA-N
MW392.83 g/mol
LogP4.43
Rot. Bonds3

About 6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclopropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile

6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclopropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 122510406) has the molecular formula C20H14ClFN6 and a molecular weight of 392.83 g/mol. Its IUPAC name is 6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclopropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclopropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID122510406
Molecular FormulaC20H14ClFN6
Molecular Weight392.83 g/mol
Exact Mass392.10
IUPAC Name6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclopropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCC1(n2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccc3ncc(C#N)n3n2)CC1
InChIInChI=1S/C20H14ClFN6/c1-20(6-7-20)27-11-25-18(12-2-3-15(22)14(21)8-12)19(27)16-4-5-17-24-10-13(9-23)28(17)26-16/h2-5,8,10-11H,6-7H2,1H3
InChIKeyLILHDFQTAZTSON-UHFFFAOYSA-N
XLogP4.43
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.83
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclopropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclopropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclopropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile (CID 122510406) is 6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclopropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclopropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclopropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile is CC1(n2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccc3ncc(C#N)n3n2)CC1.
What is the InChIKey of 6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclopropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is LILHDFQTAZTSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN6/c1-20(6-7-20)27-11-25-18(12-2-3-15(22)14(21)8-12)19(27)16-4-5-17-24-10-13(9-23)28(17)26-16/h2-5,8,10-11H,6-7H2,1H3.
What are the key properties of 6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclopropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclopropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 392.83 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclopropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 122510406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).